Wavefunction matching for solving quantum many-body problems

Serdar Elhatisari, Lukas Bovermann, Yuan-Zhuo Ma, Evgeny Epelbaum, Dillon Frame, Fabian Hildenbrand, Myungkuk Kim, Youngman Kim, Hermann Krebs, Timo A. Lähde, Dean Lee (), Ning Li, Bing-Nan Lu, Ulf-G. Meißner, Gautam Rupak, Shihang Shen, Young-Ho Song and Gianluca Stellin
Additional contact information
Serdar Elhatisari: Gaziantep Islam Science and Technology University
Lukas Bovermann: Ruhr-Universität Bochum
Yuan-Zhuo Ma: Michigan State University
Evgeny Epelbaum: Ruhr-Universität Bochum
Dillon Frame: Jülich Center for Hadron Physics
Fabian Hildenbrand: Jülich Center for Hadron Physics
Myungkuk Kim: Institute for Basic Science
Youngman Kim: Institute for Basic Science
Hermann Krebs: Ruhr-Universität Bochum
Timo A. Lähde: Jülich Center for Hadron Physics
Dean Lee: Michigan State University
Ning Li: Sun Yat-Sen University
Bing-Nan Lu: Graduate School of China Academy of Engineering Physics
Ulf-G. Meißner: Universität Bonn
Gautam Rupak: Mississippi State University
Shihang Shen: Jülich Center for Hadron Physics
Young-Ho Song: Institute for Basic Science (IBS)
Gianluca Stellin: CEA Paris-Saclay and Université Paris-Saclay

Nature, 2024, vol. 630, issue 8015, 59-63

Abstract: Abstract Ab initio calculations have an essential role in our fundamental understanding of quantum many-body systems across many subfields, from strongly correlated fermions1–3 to quantum chemistry4–6 and from atomic and molecular systems7–9 to nuclear physics10–14. One of the primary challenges is to perform accurate calculations for systems where the interactions may be complicated and difficult for the chosen computational method to handle. Here we address the problem by introducing an approach called wavefunction matching. Wavefunction matching transforms the interaction between particles so that the wavefunctions up to some finite range match that of an easily computable interaction. This allows for calculations of systems that would otherwise be impossible owing to problems such as Monte Carlo sign cancellations. We apply the method to lattice Monte Carlo simulations15,16 of light nuclei, medium-mass nuclei, neutron matter and nuclear matter. We use high-fidelity chiral effective field theory interactions17,18 and find good agreement with empirical data. These results are accompanied by insights on the nuclear interactions that may help to resolve long-standing challenges in accurately reproducing nuclear binding energies, charge radii and nuclear-matter saturation in ab initio calculations19,20.

Date: 2024
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DOI: 10.1038/s41586-024-07422-z

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